First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co)
Joint Authors
Kanagaprabha, S.
Rajeswarapalanichamy, R.
Iyakutti, K.
Source
International Journal of Metals
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-07-14
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Earth Science , Water and Environment
Materials Science , Minerals
Abstract EN
First principles calculations are performed using a tight-binding linear muffin-tin orbital (TB-LMTO) method with local density approximation (LDA) and atomic sphere approximation (ASA) to understand the electronic properties of transition metal hydrides (TMH) (TM = Cr, Mn, Fe, Co).
The structural property, electronic structure, and magnetic properties are investigated.
A pressure induced structural phase transition from cubic to hexagonal phase is predicted at the pressures of 50 GPa for CrH and 23 GPa for CoH.
Also, magnetic phase transition is observed in FeH and CoH at the pressures of 10 GPa and 180 GPa, respectively.
American Psychological Association (APA)
Kanagaprabha, S.& Rajeswarapalanichamy, R.& Iyakutti, K.. 2013. First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co). International Journal of Metals،Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-495240
Modern Language Association (MLA)
Kanagaprabha, S.…[et al.]. First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co). International Journal of Metals No. 2013 (2013), pp.1-10.
https://search.emarefa.net/detail/BIM-495240
American Medical Association (AMA)
Kanagaprabha, S.& Rajeswarapalanichamy, R.& Iyakutti, K.. First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co). International Journal of Metals. 2013. Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-495240
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-495240